Compound Identification
SMILES
CC1OC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(C2)OC(C)=O)C2=COC(=O)C=C2)C(O)C(O)C1O
InChIKey
InChIKey=OXJKHKWYTNFHDJ-UHFFFAOYSA-N
Formula
C32H46O11
Mass
606.709
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Bufanolides and derivatives
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Subclass
Steroid lactones
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Bufanolides and derivatives
Alternative Parents
Steroidal glycosides Steroid esters 14-hydroxysteroids Hexoses O-glycosyl compounds Pyranones and derivatives Oxanes Tertiary alcohols Heteroaromatic compounds Lactones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bufanolide-skeleton - Steroidal glycoside - Steroid ester - 19-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Pyranone - Pyran - Oxane - Monosaccharide - Tertiary alcohol - Cyclic alcohol - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Lactone - Oxacycle - Polyol - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Primary alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors
Not available